[
  {
    "molid": "mol11424",
    "smiles": "O=C(O)CN(CC(=O)O)C1CCCCC1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CC(=O)O)[C@H]1CCCC[C@@H]1O",
        "std_free_energy": -6.165452480316162,
        "relative_population": 0.9888064947385099
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])[C@H]1CCCC[C@@H]1O",
        "std_free_energy": -14.296600341796875,
        "relative_population": 0.9990393753238532
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN(CC(=O)[O-])[C@H]1CCCC[C@@H]1O",
        "std_free_energy": -6.447575569152832,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.57,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]